N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine

C10H17F3N4S — CID 62182105

IUPACN-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCCCN(Cc1nnsc1NCC)CC(F)(F)F
InChIInChI=1S/C10H17F3N4S/c1-3-5-17(7-10(11,12)13)6-8-9(14-4-2)18-16-15-8/h14H,3-7H2,1-2H3
InChIKeyITFAPDYOHVTQSU-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.74
Rot. Bonds7

About N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine

N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62182105) has the molecular formula C10H17F3N4S and a molecular weight of 282.33 g/mol. Its IUPAC name is N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
PubChem CID62182105
Molecular FormulaC10H17F3N4S
Molecular Weight282.33 g/mol
Exact Mass282.11
IUPAC NameN-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCCCN(Cc1nnsc1NCC)CC(F)(F)F
InChIInChI=1S/C10H17F3N4S/c1-3-5-17(7-10(11,12)13)6-8-9(14-4-2)18-16-15-8/h14H,3-7H2,1-2H3
InChIKeyITFAPDYOHVTQSU-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (CID 62182105) is N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is CCCN(Cc1nnsc1NCC)CC(F)(F)F.
What is the InChIKey of N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is ITFAPDYOHVTQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4S/c1-3-5-17(7-10(11,12)13)6-8-9(14-4-2)18-16-15-8/h14H,3-7H2,1-2H3.
What are the key properties of N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 282.33 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62182105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).